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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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226491 87457539 1 BrS2O3N6C22H25 AB2C3D6E22F25 -20.42 6.87 -8.43 -0.9 0
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226492 87457551 1 SN2O4F5C13H21 AB2C4D5E13F21 -420.61 19.36 -9.74 -1.39 0
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226493 87457562 1 N2O2H12C15 A2B2C12D15 -1.61 5.05 -8.67 -0.94 0
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226494 87457563 1 N3O4C23H27 A3B4C23D27 -58.24 2.79 -8.6 -0.56 0
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226495 87457586 1 BrF3N3O3H13C18 AB3C3D3E13F18 -202.6 3.36 -9.55 -0.98 0
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226496 87457590 1 ClN3O3S3C23H26 AB3C3D3E23F26 -75.74 5.36 -8.35 -0.65 0
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226497 87457594 1 FN2O2S2C12H15 AB2C2D2E12F15 -93.93 7.03 -8.82 -1.04 0
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226498 87457595 1 N5C17H21 A5B17C21 112.81 4.76 -8.55 0.29 0
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226499 87457600 1 O4C11H16 A4B11C16 -170.83 1.39 -10.27 -1.23 0
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226500 87457603 1 NOC10H19 ABC10D19 -66.38 3.54 -9.25 0.49 0
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226501 87457643 1 BrSF3N3O4H11C16 ABC3D3E4F11G16 -252.28 10.07 -10.31 -1.34 0
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226502 87457653 1 OH12C14 AB12C14 126.88 2.03 -8.95 -0.09 0
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226503 87457654 1 SO4F6N6H20C24 AB4C6D6E20F24 -390.98 7.45 -9.57 -1.44 0
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226504 87457655 1 NSF3O4C7H10 ABC3D4E7F10 -273.39 2.34 -9.69 -1.54 0
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226505 87457672 1 NO3C18H35 AB3C18D35 -206.37 6.01 -9.88 0.26 0
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226506 87457685 3 O2C5H10 A2B5C10 -297.52 6.23 -9.81 0.49 0
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226507 87457686 1 ClSO2N4F5H18C22 ABC2D4E5F18G22 -243.96 4.23 -9.41 -1.33 0
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226508 87457687 1 ClNSiO3C14H34 ABCD3E14F34 -269.7 12.89 -8.16 0.43 0
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226509 87457690 1 OF11H11C28 AB11C11D28 -452.64 7.7 -8.81 -1.63 0
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226510 87457729 1 SN3O3F6C21H25 AB3C3D6E21F25 -440.97 2.41 -9.24 -0.79 0
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226511 87457731 1 N2O5F6C20H26 A2B5C6D20E26 -536.27 7.36 -9.4 -0.79 0
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226512 87457732 1 ClO3N4H15C19 AB3C4D15E19 1.42 5.65 -8.59 -2.22 0
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226513 87457735 1 IN2O4C18H27 AB2C4D18E27 -94.03 2.05 -8.42 -1.08 0
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226514 87457736 2 F2H7C13 A2B7C13 -75.78 2.39 -8.56 -1.36 0
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226515 87457738 1 BrO2S2N5C21H22 AB2C2D5E21F22 49.32 6.35 -8.62 -0.55 0
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226516 87457739 1 NO2C13H17 AB2C13D17 -32.2 2.7 -8.97 -0.14 0
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226517 87457740 1 BrSO2F3N3H13C18 ABC2D3E3F13G18 -161.79 3.77 -9.74 -1.26 0
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226518 87457741 1 OC14H20 AB14C20 -16.57 3.41 -9.06 -0.15 0
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226519 87457743 1 H8F12C27 A8B12C27 -451.38 1.61 -9.15 -1.98 0
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226520 87457744 1 SO3F6N6C28H32 AB3C6D6E28F32 -388.4 9.5 -8.47 -1.08 0
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226521 87457745 1 SO4N5F6C27H29 AB4C5D6E27F29 -429.52 10.33 -9.0 -1.11 0
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226522 87457747 1 SiO2C3H8 AB2C3D8 -148.55 1.02 -8.75 1.11 0
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226523 87457748 1 NaSO3C5H9 ABC3D5E9 -184.18 7.81 -9.02 0.16 0
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226524 87457749 1 ClSO2F3N3H13C20 ABC2D3E3F13G20 -166.31 7.57 -9.77 -1.47 0
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226525 87457752 2 OC9H16 AB9C16 -125.9 4.81 -9.6 0.61 0
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226526 87457753 1 S2F3N3O3H16C21 A2B3C3D3E16F21 -173.91 9.56 -9.62 -1.75 0
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226527 87457754 1 S2F3N3O3H16C21 A2B3C3D3E16F21 -173.91 9.56 -9.62 -1.75 0
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226528 87457758 1 N2C9H22 A2B9C22 -40.11 1.83 -9.26 3.34 0
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226529 87457775 1 BrClHF3C6 ABCD3E6 -115.16 1.28 -10.06 -1.38 0
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226530 87457777 1 BrON5F6C28H32 ABC5D6E28F32 -284.2 3.59 -8.65 -1.26 0
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226531 87457786 1 ClSF3O3N4H16C19 ABC3D3E4F16G19 -242.54 5.32 -9.69 -1.43 0
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226532 87457794 1 O4C11H12 A4B11C12 -69.27 3.43 -11.27 -1.38 0
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226533 87457796 2 O2C14H25 A2B14C25 -248.44 2.01 -10.86 -0.96 0
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226534 87457801 2 OC5H6 AB5C6 -20.14 2.12 -9.67 -0.19 0
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226535 87457804 1 O2C17H36 A2B17C36 -177.18 0.64 -10.35 1.92 0
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226536 87457812 1 SN6O7C36H46 AB6C7D36E46 -200.4 1.85 -9.6 -1.17 0
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226537 87457815 1 N2O5F6C21H28 A2B5C6D21E28 -542.47 2.54 -9.73 -1.14 0
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226538 87457845 1 N2O3F6C18H24 A2B3C6D18E24 -452.27 7.34 -9.42 -0.66 0
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226539 87457846 1 SO6C28H58 AB6C28D58 -383.82 3.55 -10.15 -0.76 0
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226540 87457847 1 SO7C28H60 AB7C28D60 -436.91 4.23 -9.73 -0.84 0
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226541 87457851 2 O2H13C22 A2B13C22 21.14 0.58 -8.77 -1.64 0
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226542 87457853 1 FOCl2N4H9C12 ABC2D4E9F12 -33.42 4.44 -9.57 -1.09 0
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226544 87464910 1 SN3F4O4H17C21 AB3C4D4E17F21 -295.22 1.74 -8.82 -1.12 0
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226545 87464911 2 Cl3O3C13H14 A3B3C13D14 -254.79 3.29 -9.36 -1.41 0
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226546 87467690 1 SSiN2O2C9H12 ABC2D2E9F12 -47.6 1.2 -8.96 -0.77 0
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226548 87491659 2 N2C5H5 A2B5C5 193.71 0.84 -8.26 -0.87 -1
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226550 87493179 1 PCl3O3C17H26 AB3C3D17E26 -201.51 1.81 -9.29 -0.46 0
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226551 87494406 1 N2O4C21H24 A2B4C21D24 -139.45 3.83 -9.39 -0.86 -4
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226552 87521664 1 SiZrCl2H44C45 ABC2D44E45 33.17 4.66 -7.5 -1.03 0
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226553 87524789 1 FSO2N4H23C27 ABC2D4E23F27 29.23 18.6 -7.8 -2.12 0
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226554 87525615 1 S2N3O6C7H9 A2B3C6D7E9 -173.47 7.26 -9.66 -1.37 0
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226555 87525983 1 AsO4C18H19 AB4C18D19 -111.59 4.06 -9.49 -0.64 0
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226556 87529487 1 ClN2O3H19C22 AB2C3D19E22 -35.25 5.78 -9.56 -0.65 0
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226557 87533164 2 SC6H8 AB6C8 42.62 2.94 -8.23 -1.2 0
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226558 87544091 1 OBr2N3H7C9 AB2C3D7E9 33.96 3.4 -9.66 -1.38 0
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226559 87544094 2 N3O5C27H33 A3B5C27D33 -313.51 1.78 -9.34 -0.83 0
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226560 87544095 2 N3O5C27H32 A3B5C27D32 -301.65 6.36 -9.42 -0.77 0
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226561 87544097 1 BrN3O3C22H22 AB3C3D22E22 4.07 5.36 -9.14 -0.93 0
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226562 87544098 1 NO2C11H11 AB2C11D11 5.43 3.67 -8.36 -0.87 0
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226563 87544099 1 NO5C9H13 AB5C9D13 -215.25 5.71 -10.37 -0.29 0
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226564 87544101 1 SF3O4N5C28H28 AB3C4D5E28F28 -215.39 4.54 -8.65 -0.82 0
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226565 87544102 1 SN2O5C13H22 AB2C5D13E22 -211.67 5.94 -8.48 -0.06 0
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226566 87544103 1 SN2O5C13H22 AB2C5D13E22 -211.13 3.78 -8.46 -0.08 -1
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226567 87544104 1 F3N3O8H33C34 A3B3C8D33E34 -233.86 32.57 0.0 0.0 0
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226568 87544188 1 NSO4C12H13 ABC4D12E13 -113.78 6.35 -9.23 -0.9 0